9-ethyl-9-azatricyclo[4.2.1.12,5]decane

C11H19N — CID 57172667

IUPAC9-ethyl-9-azatricyclo[4.2.1.12,5]decane
SMILESCCN1C2CCC1C1CCC2C1
InChIInChI=1S/C11H19N/c1-2-12-10-5-6-11(12)9-4-3-8(10)7-9/h8-11H,2-7H2,1H3
InChIKeyCBOXNHVXMZILSU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds1

About 9-ethyl-9-azatricyclo[4.2.1.12,5]decane

9-ethyl-9-azatricyclo[4.2.1.12,5]decane (PubChem CID 57172667) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 9-ethyl-9-azatricyclo[4.2.1.12,5]decane.

Molecular Properties

Compound Name9-ethyl-9-azatricyclo[4.2.1.12,5]decane
PubChem CID57172667
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name9-ethyl-9-azatricyclo[4.2.1.12,5]decane
SMILESCCN1C2CCC1C1CCC2C1
InChIInChI=1S/C11H19N/c1-2-12-10-5-6-11(12)9-4-3-8(10)7-9/h8-11H,2-7H2,1H3
InChIKeyCBOXNHVXMZILSU-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azabicyclo(3.2.1)octane, N,2-dimethyl-
CID 47256
3-Azabicyclo(3.2.1)octane, 2-ethyl-N-methyl-
CID 46829
3-Azabicyclo(3.2.1)octane, N,2,4-trimethyl-
CID 46831
3-Azabicyclo(3.2.1)octane, 2,2,3,4-tetramethyl-
CID 47255
3,8-Dimethyl-8-azabicyclo[3.2.1]octane
CID 20469991
7-Azatricyclo[5.3.0.04,8]decane
CID 91155902
4-Methyltropan
CID 129638547
6-Methyl-6-azabicyclo[3.2.2]nonane
CID 12702546
2-Ethyl-1-azabicyclo[3.2.1]octane
CID 18765862
8-Methyl-3-propyl-8-azabicyclo[3.2.1]octane
CID 20594126
3,6,8-Trimethyl-8-azabicyclo[3.2.1]octane
CID 20649380
6,8-Dimethyl-8-azabicyclo[3.2.1]octane
CID 20649381

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-azatricyclo[4.2.1.12,5]decane?
The IUPAC name of 9-ethyl-9-azatricyclo[4.2.1.12,5]decane (CID 57172667) is 9-ethyl-9-azatricyclo[4.2.1.12,5]decane.
What is the SMILES notation for 9-ethyl-9-azatricyclo[4.2.1.12,5]decane?
The canonical SMILES for 9-ethyl-9-azatricyclo[4.2.1.12,5]decane is CCN1C2CCC1C1CCC2C1.
What is the InChIKey of 9-ethyl-9-azatricyclo[4.2.1.12,5]decane?
The InChIKey is CBOXNHVXMZILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-12-10-5-6-11(12)9-4-3-8(10)7-9/h8-11H,2-7H2,1H3.
What are the key properties of 9-ethyl-9-azatricyclo[4.2.1.12,5]decane?
9-ethyl-9-azatricyclo[4.2.1.12,5]decane has a molecular weight of 165.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-azatricyclo[4.2.1.12,5]decane is sourced from PubChem (CID 57172667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).